≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528756281 |
|---|---|
| Canonical Smiles | CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2 |
| IUPAC Name | 2-ethylsulfanyl-10H-phenothiazine |
| InChIKey | DMHPUUIDINBWBN-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NS2/c1-2-16-10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)17-14/h3-9,15H,2H2,1H3 |
| Isomeric SMILES | CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2 |
| Molecular Weight | 259.39 |
| Beilstein | 27(3/4)2040 |
| Reaxy-Rn | 222634 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=222634&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Phenothiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenothiazines |
| Alternative Parents | Diarylthioethers Thiophenol ethers Alkylarylthioethers 1,4-thiazines Sulfenyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Diarylthioether - Aryl thioether - Thiophenol ether - Alkylarylthioether - Para-thiazine - Benzenoid - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
| External Descriptors | Not available |
| Melt Point(°C) | 100 °C |
|---|---|
| Molecular Weight | 259.399 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.049 Da |
| Monoisotopic Mass | 259.049 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
F2405080